Hi all, Would it break the API to add another value for the enum OBStereo::Winding? Current values are Clockwise and AntiClockwise: I'd like to add Unknown.
The reason is that people seem to distinguish between unspecified chirality, and unknown chirality. (Let's not talk about racemic mixtures right now.) A SMILES string only has syntax for unspecified chirality, e.g. CC(Br)(Cl)I. However, a MOL file can have a squiggly line indicating unknown chirality and there's no way to store this internally (correct me if I'm wrong). We have a system for noting whether the configuration is specified or unspecified (via Config.specified), but nothing for storing that "it is specified that it is unknown". - Noel ------------------------------------------------------------------------------ Get a FREE DOWNLOAD! and learn more about uberSVN rich system, user administration capabilities and model configuration. Take the hassle out of deploying and managing Subversion and the tools developers use with it. http://p.sf.net/sfu/wandisco-d2d-2 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
